[4-(4-octoxycarbonylphenyl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C37H45NO5 MolecularWeight: 583.7569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

InChI

InChI=1S/C37H45NO5/c1-4-6-8-10-11-13-25-41-36(39)31-17-15-29(16-18-31)30-19-22-34(23-20-30)43-37(40)32-21-24-35(33(26-32)27-38)42-28(3)14-12-9-7-5-2/h15-24,26,28H,4-14,25H2,1-3H3